In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2008 | 10 | Yes |
Popular Name: 2-Fluoro-6-methylbenzonitrile 2-Fluoro-6-methylbenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 198633-76- , 198633-76-0 , [198633-76-0]
2-Cyano-3-fluorotoluene, 6-Fluoro-o-tolunitrile
2-Fluoro-6-(2,2,2-Trifluoroethoxy)Benzonitrile [119584-74-6]
2-Fluoro-6-(Trifluoromethyl)Benzonitrile [133116-83-3]; (2-Cyano-3-fluorobenzotrifluoride)
2-Fluoro-6-methyl benzonitrile
2-Fluoro-6-methylbenzonitrile 99%
Benzonitrile, 2-fluoro-6-methyl-
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.21 | 5.43 | -7.37 | 0 | 1 | 0 | 24 | 135.141 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 39-46° | Oakwood Chemical |
MP | 45 - 47 | Enamine Building Blocks |
MP | 45...47 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.